2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5OS/c31-24(26-16-10-13-21-11-4-1-5-12-21)20-32-25-28-27-23(19-29-17-8-3-9-18-29)30(25)22-14-6-2-7-15-22/h1-2,4-7,11-12,14-15H,3,8-10,13,16-20H2,(H,26,31)